[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate

C15H30O5Si — CID 10925204

IUPAC[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO)O1
InChIInChI=1S/C15H30O5Si/c1-11(17)18-10-14-8-12(7-13(9-16)19-14)20-21(5,6)15(2,3)4/h12-14,16H,7-10H2,1-6H3/t12-,13-,14+/m1/s1
InChIKeyPIMZXCSHIDTZFV-MCIONIFRSA-N
MW318.49 g/mol
LogP2.48
Rot. Bonds5

About [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate

[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate (PubChem CID 10925204) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate
PubChem CID10925204
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO)O1
InChIInChI=1S/C15H30O5Si/c1-11(17)18-10-14-8-12(7-13(9-16)19-14)20-21(5,6)15(2,3)4/h12-14,16H,7-10H2,1-6H3/t12-,13-,14+/m1/s1
InChIKeyPIMZXCSHIDTZFV-MCIONIFRSA-N
XLogP2.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate?
The IUPAC name of [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate (CID 10925204) is [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate is CC(=O)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO)O1.
What is the InChIKey of [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate?
The InChIKey is PIMZXCSHIDTZFV-MCIONIFRSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-11(17)18-10-14-8-12(7-13(9-16)19-14)20-21(5,6)15(2,3)4/h12-14,16H,7-10H2,1-6H3/t12-,13-,14+/m1/s1.
What are the key properties of [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate?
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate has a molecular weight of 318.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 10925204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).